Information card for entry 7014336

Structure parameters

• Formula: C44 H33 F6 Ir N4 O2.5 P
• Calculated formula: C44 H27 F6 Ir N4 O2.5 P
• Title of publication: Luminescent cyclometallated iridium(iii) bis(quinolylbenzaldehyde) diimine complexes-synthesis, photophysics, electrochemistry, protein cross-linking properties, cytotoxicity and cellular uptake.
• Authors of publication: Lee, Pui-Kei; Liu, Hua-Wei; Yiu, Shek-Man; Louie, Man-Wai; Lo, Kenneth Kam-Wing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2180 - 2189
• a: 10.6285 ± 0.0003 Å
• b: 13.1359 ± 0.0003 Å
• c: 14.5805 ± 0.0003 Å
• α: 93.7062 ± 0.0017°
• β: 102.689 ± 0.002°
• γ: 105.697 ± 0.002°
• Cell volume: 1895.12 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No